# generated using pymatgen data_Zr5Ta(TiSi)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88339499 _cell_length_b 7.88404064 _cell_length_c 7.88339362 _cell_angle_alpha 127.39239245 _cell_angle_beta 124.44312361 _cell_angle_gamma 80.04388815 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Ta(TiSi)6 _chemical_formula_sum 'Zr5 Ta1 Ti6 Si6' _cell_volume 309.96846131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.95285304 0.91190514 0.45905310 1.0 Zr Zr1 1 0.04543775 0.50078567 0.95534691 1.0 Zr Zr2 1 0.54716315 0.50618863 0.45902348 1.0 Zr Zr3 1 0.45453580 0.90983827 0.95530247 1.0 Zr Zr4 1 0.74999086 0.09655985 0.84656898 1.0 Ta Ta5 1 0.24995131 0.09813977 0.34818846 1.0 Ti Ti6 1 0.49443330 0.75185494 0.24634024 1.0 Ti Ti7 1 0.00551470 0.75185494 0.75742164 1.0 Ti Ti8 1 0.87561181 0.25328050 0.37812684 1.0 Ti Ti9 1 0.12502684 0.50246429 0.37810416 1.0 Ti Ti10 1 0.37515266 0.25328050 0.87766769 1.0 Ti Ti11 1 0.62436013 0.50246429 0.87743945 1.0 Si Si12 1 0.75012878 0.50532256 0.25519278 1.0 Si Si13 1 0.25004597 0.49445498 0.74441001 1.0 Si Si14 1 0.65894321 0.16886303 0.49975563 1.0 Si Si15 1 0.33080754 0.84083981 0.49990407 1.0 Si Si16 1 0.16910740 0.16886303 0.00992082 1.0 Si Si17 1 0.84093474 0.84083981 0.01003227 1.0